Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10903684 | 0.83 | ADRB2 (0.51) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL29711020 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL2839905 | 0.80 | AOC3 (0.61) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL30839517 | 0.80 | AOC3 (0.61) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL3920493 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL3489603 | 0.80 | AOC3 (0.61) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL4298647 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL3487656 | 0.80 | AOC3 (0.61) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL7468533 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1AOC3HIF1ACYP2D6 | |
| SCHEMBL382030 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1AOC3HIF1ACYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101610761-A | 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor | NOVARTIS AG (CH) | 2009-12-23 | — | — | CN | disclosed |
| US-4590291-A | Thrombin inhibitory new dihydroxybenzene ether derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-20 | — | — | US | disclosed |
| EP-0068250-A1 | Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use | BAYER AG (DE) | 1983-01-05 | — | — | EP | disclosed |